Crystallography Open Database

Information card for entry 4337075

Preview

Coordinates	4337075.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H18 N0 O41 Zn9
Calculated formula	C54 H18 O41 Zn9
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	23.55 ± 0.008 Å
b	23.55 ± 0.008 Å
c	23.55 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	13061 ± 8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	197
Hermann-Mauguin space group symbol	I 2 3
Hall space group symbol	I 2 2 3
Residual factor for all reflections	0.1043
Residual factor for significantly intense reflections	0.0844
Weighted residual factors for significantly intense reflections	0.2301
Weighted residual factors for all reflections included in the refinement	0.2494
Goodness-of-fit parameter for all reflections included in the refinement	1.115
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.	4337075.cif
106139	2014-03-15	cif/ Adding structures of 4337075 via cif-deposit CGI script.	4337075.cif