Crystallography Open Database

Information card for entry 4501004

Preview

Coordinates	4501004.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H18 N4 O7 S Zn
Calculated formula	C17 H18 N4 O7 S Zn
Title of publication	Spontaneous Resolution in the Ionothermal Synthesis of Homochiral Zn(II) Metal‒Organic Frameworks with (10,3)-aTopology Constructed from Achiral 5-Sulfoisophthalate
Authors of publication	Liu, Qing-Yan; Wang, Yu-Ling; Zhang, Na; Jiang, Yun-Liang; Wei, Jia-Jia; Luo, Feng
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	9
Pages of publication	3717
a	8.1331 ± 0.0006 Å
b	14.6556 ± 0.001 Å
c	16.8257 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	2005.5 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0495
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0695
Weighted residual factors for all reflections included in the refinement	0.0738
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
179541 (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 4/50/10.	4501004.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501004.cif
34721	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4501004, 4501005 via cif-deposit CGI script.	4501004.cif