Test Crystallography Open Database

Information card for entry 7200039

7200038 << 7200039 >> 7200040

Preview

Coordinates	7200039.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	MIL-125-NHCyp
Formula	C2.955 N0.315 O2.149 Ti0.25
Calculated formula	C2.955 N0.315 O2.15 Ti0.25
Title of publication	Systematic variation of the optical bandgap in titanium based isoreticular metal–organic frameworks for photocatalytic reduction of CO2 under blue light
Authors of publication	Logan, Matthew W.; Ayad, Suliman; Adamson, Jeremy D.; Dilbeck, Tristan; Hanson, Kenneth; Uribe-Romo, Fernando J.
Journal of publication	Journal of Materials Chemistry A
Year of publication	2017
Journal volume	5
Journal issue	23
Pages of publication	11854 - 11863
a	18.682 ± 0.029 Å
b	18.682 ± 0.029 Å
c	18.204 ± 0.028 Å
α	90°
β	90°
γ	90°
Cell volume	6354 ± 17 Å³
Ambient diffraction temperature	300 K
Ambient diffracton pressure	100 kPa
Number of distinct elements	4
Space group number	139
Hermann-Mauguin space group symbol	I 4/m m m
Hall space group symbol	-I 4 2
Weighted residual factors for significantly intense reflections	0.13306
RFsqd	0.30104
Goodness-of-fit parameter for all reflections	7.727
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5405 Å
Diffraction radiation type	Kα~1,2~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
1154 (current)	2025-07-01	cif/ Adding structures of 7200039, 7200040, 7200041, 7200042, 7200043, 7200044 via cif-deposit CGI script.	7200039.cif