Crystallography Open Database

Information card for entry 4337074

Preview

Coordinates	4337074.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H14 N2 O6 Zn
Calculated formula	C19 H14 N2 O6 Zn
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	14.489 ± 0.003 Å
b	15.73 ± 0.003 Å
c	16.672 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3799.7 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0461
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0887
Weighted residual factors for all reflections included in the refinement	0.0927
Goodness-of-fit parameter for all reflections included in the refinement	1.261
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.	4337074.cif
106138	2014-03-15	cif/ Adding structures of 4337074 via cif-deposit CGI script.	4337074.cif