Crystallography Open Database

Information card for entry 4502032

4502031 << 4502032 >> 4502033

Preview

Coordinates	4502032.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H34 Br3 N3 O8
Calculated formula	C30 H27 Br2.5 N3 O8
SMILES	[Br-].[Br-].[Br-].OC(=O)c1cc[n+](Cc2c(c(c(c(c2C)C[n+]2ccc(C(=O)O)cc2)C)C[n+]2ccc(C(=O)O)cc2)C)cc1.O.O
Title of publication	Four Novel Coordination Polymers Based on a Flexible Zwitterionic Ligand and Their Framework Dependent Luminescent Properties
Authors of publication	Kong, Guo-Qiang; Wu, Chuan-De
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	10
Pages of publication	4590
a	11.2602 ± 0.0018 Å
b	13.0082 ± 0.0017 Å
c	13.297 ± 0.002 Å
α	63.005 ± 0.015°
β	65.037 ± 0.017°
γ	74.537 ± 0.013°
Cell volume	1566.5 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2488
Residual factor for significantly intense reflections	0.1209
Weighted residual factors for significantly intense reflections	0.3363
Weighted residual factors for all reflections included in the refinement	0.385
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179551 (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 4/50/20.	4502032.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502032.cif
36211	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502032, 4502033, 4502034, 4502035, 4502036 via cif-deposit CGI script.	4502032.cif