Crystallography Open Database

Information card for entry 4501786

Preview

Coordinates	4501786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H16 Br2 Cd3 N16 O2
Calculated formula	C12 H16 Br2 Cd3 N16 O2
Title of publication	Syntheses, Structures, and Photoluminescence of a Series of Three-Dimensional Cd(II) Frameworks with a Flexible Ligand, 1,5-Bis(5-tetrazolo)-3-oxapentane
Authors of publication	Cui, Ping; Chen, Zhi; Gao, Dongliang; Zhao, Bin; Shi, Wei; Cheng, Peng
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	10
Pages of publication	4370
a	14.3329 ± 0.0009 Å
b	9.8015 ± 0.0006 Å
c	16.5134 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2319.9 ± 0.2 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0358
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0871
Weighted residual factors for all reflections included in the refinement	0.0893
Goodness-of-fit parameter for all reflections included in the refinement	1.12
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179548 (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 4/50/17.	4501786.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501786.cif
36104	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501781, 4501782, 4501783, 4501784, 4501785, 4501786 via cif-deposit CGI script.	4501786.cif