Crystallography Open Database

Information card for entry 4501588

Preview

Coordinates	4501588.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H29 Mn7.5 N45 O14.5 S2
Calculated formula	C12 H26 Mn7.5 N42 O14.5 S2
Title of publication	Syntheses, Crystal Structures, and Magnetic Properties of Two Mn(II) Coordination Polymers Based on the 5-Aminotetrazole Ligand: Effect of Sources of Ligand on Construction of Topological Networks
Authors of publication	Wang, Tian-Wei; Liu, Dong-Sheng; Huang, Chang-Cang; Sui, Yan; Huang, Xi-He; Chen, Jian-Zhong; You, Xiao-Zeng
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	8
Pages of publication	3429
a	21.015 ± 0.002 Å
b	21.015 ± 0.002 Å
c	21.015 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	9280.9 ± 1.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	220
Hermann-Mauguin space group symbol	I -4 3 d
Hall space group symbol	I -4bd 2c 3
Residual factor for all reflections	0.0419
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1307
Weighted residual factors for all reflections included in the refinement	0.1307
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
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.	4501588.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501588.cif
35977	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501588 via cif-deposit CGI script.	4501588.cif