Crystallography Open Database

Information card for entry 4511433

Preview

Coordinates	4511433.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H38 Ni3 O28 S2
Calculated formula	C32 H38 Ni3 O28 S2
Title of publication	Tuning the Framework Formation of Ni(II) Complexes by Controlling the Hydrolysis of 2,2‘,3,3‘-Thiodiphthalic Dianhydride: Syntheses, Crystal Structures, and Physical Properties
Authors of publication	Zang, Shuangquan; Su, Yang; Song, You; Li, Yizhi; Ni, Zhaoping; Zhu, Huizhen; Meng, Qingjin
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	10
Pages of publication	2369
a	11.962 ± 0.003 Å
b	8.0971 ± 0.0018 Å
c	21.27 ± 0.005 Å
α	90°
β	101.282 ± 0.004°
γ	90°
Cell volume	2020.3 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.077
Residual factor for significantly intense reflections	0.0579
Weighted residual factors for significantly intense reflections	0.123
Weighted residual factors for all reflections included in the refinement	0.1273
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
179661 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/14.	4511433.cif
118592	2014-06-30	cif/ Adding structures of 4511433 via cif-deposit CGI script.	4511433.cif