Crystallography Open Database

Information card for entry 4506028

Preview

Coordinates	4506028.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C321.4 H385.4 N25.4 Na8 O84 S10.6 Zn20
Calculated formula	C321.4 H385.4 N25.4 Na8 O84 S10.6 Zn20
Title of publication	Polynuclear Complexes of Ligands Containing in Situ Formed Oxazinane and Oxazolidine Rings with Appended Alkoxyl and Phenol Groups
Authors of publication	Ding, Caixia; Zeng, Fanhua; Ni, Jia; Wang, Bingwu; Xie, Yongshu
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	4
Pages of publication	2089
a	20.148 ± 0.002 Å
b	15.227 ± 0.0016 Å
c	57.72 ± 0.005 Å
α	90°
β	98.443 ± 0.001°
γ	90°
Cell volume	17516 ± 3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
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	0.1446
Residual factor for significantly intense reflections	0.1159
Weighted residual factors for significantly intense reflections	0.2065
Weighted residual factors for all reflections included in the refinement	0.2582
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4506028.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506028.cif
57476	2012-05-18	cif/ Adding structures of 4506028 via cif-deposit CGI script.	4506028.cif