Crystallography Open Database

Information card for entry 4337077

Preview

Coordinates	4337077.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H6 N0 O16 Zn3
Calculated formula	C18 H6 O16 Zn3
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	20.78 ± 0.003 Å
b	20.78 ± 0.003 Å
c	17.677 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	7633 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	108
Hermann-Mauguin space group symbol	I 4 c m
Hall space group symbol	I 4 -2c
Residual factor for all reflections	0.1132
Residual factor for significantly intense reflections	0.0876
Weighted residual factors for significantly intense reflections	0.2498
Weighted residual factors for all reflections included in the refinement	0.2701
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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.	4337077.cif
106141	2014-03-15	cif/ Adding structures of 4337077 via cif-deposit CGI script.	4337077.cif