Crystallography Open Database

Information card for entry 4502912

Preview

Coordinates	4502912.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H60 N8 O27 Zn4
Calculated formula	C80 H60 N8 O27 Zn4
Title of publication	pH Influence on the Structural Variations of 4,4′-Oxydiphthalate Coordination Polymers
Authors of publication	Yang, Jin-Xia; Zhang, Xin; Cheng, Jian-Kai; Zhang, Jian; Yao, Yuan-Gen
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	1
Pages of publication	333
a	21.0705 ± 0.0005 Å
b	18.4633 ± 0.0005 Å
c	12.0995 ± 0.0003 Å
α	90°
β	103.461 ± 0.003°
γ	90°
Cell volume	4577.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0654
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1526
Weighted residual factors for all reflections included in the refinement	0.157
Goodness-of-fit parameter for all reflections included in the refinement	1.104
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4502912.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502912.cif
37789	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4502910, 4502911, 4502912, 4502913, 4502914 via cif-deposit CGI script.	4502912.cif