Crystallography Open Database

Information card for entry 4130928

Preview

Coordinates	4130928.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H9 Cu Mg3 N3 O16
Calculated formula	C21 H9 Cu Mg3 N3 O16
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	13.1696 ± 0.0012 Å
b	13.1696 ± 0.0012 Å
c	14.7973 ± 0.0017 Å
α	90°
β	90°
γ	120°
Cell volume	2222.6 ± 0.4 Å³
Cell temperature	174 ± 2 K
Ambient diffraction temperature	174 ± 2 K
Number of distinct elements	6
Space group number	190
Hermann-Mauguin space group symbol	P -6 2 c
Hall space group symbol	P -6c -2c
Residual factor for all reflections	0.0592
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1504
Weighted residual factors for all reflections included in the refinement	0.1577
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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.	4130928.cif