Crystallography Open Database

Information card for entry 4509986

Preview

Coordinates	4509986.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H44 Cd2 N12 O20
Calculated formula	C62 H43 Cd2 N12 O20
Title of publication	Rational Assembly of Co/Cd-MOFs Featuring Topological Variation
Authors of publication	Wang, Hao; Yi, Fei-Yan; Dang, Song; Tian, Wan-Guo; Sun, Zhong-Ming
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	1
Pages of publication	147
a	15.9719 ± 0.0013 Å
b	12.927 ± 0.001 Å
c	27.989 ± 0.002 Å
α	90°
β	94.883 ± 0.001°
γ	90°
Cell volume	5757.9 ± 0.8 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 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	0.0762
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.1334
Weighted residual factors for all reflections included in the refinement	0.1424
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
179635 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/99.	4509986.cif
104158	2014-03-10	cif/ Adding structures of 4509983, 4509984, 4509985, 4509986, 4509987, 4509988, 4509989 via cif-deposit CGI script.	4509986.cif