Test Crystallography Open Database

Information card for entry 4100016

Preview

Coordinates	4100016.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C123 H48 Mo P2 Si2
Calculated formula	C23 H48 Mo P2 Si2
Title of publication	Silylene Hydride Complexes of Molybdenum with Silicon−Hydrogen Interactions: Neutron Structure of (η5-C5Me5)(Me2PCH2CH2PMe2)Mo(H)(SiEt2)
Authors of publication	Mork, Benjamin V.; Tilley, T. Don; Schultz, Arthur J.; Cowan, John A.
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Journal issue	33
Pages of publication	10428 - 10440
a	9.0505 ± 0.0005 Å
b	14.5815 ± 0.0008 Å
c	21.9795 ± 0.0012 Å
α	90°
β	96.229 ± 0.001°
γ	90°
Cell volume	2883.5 ± 0.3 Å³
Cell temperature	128 ± 1 K
Ambient diffraction temperature	128 ± 1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0721
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for all reflections	0.1117
Weighted residual factors for significantly intense reflections	0.1004
Goodness-of-fit parameter for all reflections	0.964
Goodness-of-fit parameter for significantly intense reflections	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
1225 (current)	2025-07-01	cif/ Adding structures of 4100011, 4100012, 4100013, 4100014, 4100015, 4100016 via cif-deposit CGI script.	4100016.cif