Test Crystallography Open Database

Information card for entry 4100011

Preview

Coordinates	4100011.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H37 Mo P2 Si
Calculated formula	C18 H37 Mo P2 Si
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	8.7648 ± 0.0009 Å
b	13.7145 ± 0.0014 Å
c	9.8113 ± 0.001 Å
α	90°
β	109.383 ± 0.001°
γ	90°
Cell volume	1112.5 ± 0.2 Å³
Cell temperature	171 ± 1 K
Ambient diffraction temperature	171 ± 1 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.058
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for all reflections	0.1302
Weighted residual factors for significantly intense reflections	0.1248
Goodness-of-fit parameter for all reflections	1.059
Goodness-of-fit parameter for significantly intense reflections	1.117
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.	4100011.cif