Crystallography Open Database

Information card for entry 4337076

Preview

Coordinates	4337076.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H76 N4 O36 Zn5
Calculated formula	C78 H76 N4 O36 Zn5
Title of publication	Growing Crystalline Zinc-1,3,5-benzenetricarboxylate Metal-Organic Frameworks in Different Surfactants.
Authors of publication	Gao, Junkuo; Ye, Kaiqi; Yang, Ling; Xiong, Wei-Wei; Ye, Ling; Wang, Yue; Zhang, Qichun
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	2
Pages of publication	691 - 693
a	13.871 ± 0.003 Å
b	19.994 ± 0.004 Å
c	15.102 ± 0.003 Å
α	90°
β	94.69 ± 0.03°
γ	90°
Cell volume	4174.3 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0714
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1098
Weighted residual factors for all reflections included in the refinement	0.1288
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
179473 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/70.	4337076.cif
106140	2014-03-15	cif/ Adding structures of 4337076 via cif-deposit CGI script.	4337076.cif