Crystallography Open Database

Information card for entry 4130926

Preview

Coordinates	4130926.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H6 Cu3 Fe3 N9 O20
Calculated formula	C30 H6 Cu3 Fe3 N9 O20
Title of publication	Multivariable Modular Design of Pore Space Partition.
Authors of publication	Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	46
Pages of publication	15102 - 15105
a	15.7672 ± 0.0007 Å
b	15.7672 ± 0.0007 Å
c	16.6814 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	3591.5 ± 0.3 Å³
Cell temperature	174 ± 2 K
Ambient diffraction temperature	174 ± 2 K
Number of distinct elements	6
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.1328
Residual factor for significantly intense reflections	0.1196
Weighted residual factors for significantly intense reflections	0.3559
Weighted residual factors for all reflections included in the refinement	0.3647
Goodness-of-fit parameter for all reflections included in the refinement	2.997
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
241266 (current)	2019-11-25	cif/ Adding structures of 4130912, 4130913, 4130914, 4130915, 4130916, 4130917, 4130918, 4130919, 4130920, 4130921, 4130922, 4130923, 4130924, 4130925, 4130926, 4130927, 4130928 via cif-deposit CGI script.	4130926.cif