Crystallography Open Database

Information card for entry 4507219

Preview

Coordinates	4507219.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H33 Br Co N6 O4
Calculated formula	C32 H33 Br Co N6 O4
Title of publication	Co(II)/Zn(II) Coordination Polymers with Angular Dicarboxylate and Flexible N-Donor Struts: Structural and Photoluminescence Studies
Authors of publication	Bisht, Kamal Kumar; Suresh, Eringathodi
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	2
Pages of publication	664
a	10.0496 ± 0.0014 Å
b	13.6781 ± 0.0019 Å
c	23.552 ± 0.003 Å
α	90°
β	94.541 ± 0.003°
γ	90°
Cell volume	3227.3 ± 0.8 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
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	0.1286
Residual factor for significantly intense reflections	0.0885
Weighted residual factors for significantly intense reflections	0.1462
Weighted residual factors for all reflections included in the refinement	0.1606
Goodness-of-fit parameter for all reflections included in the refinement	1.168
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
179608 (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 4/50/72.	4507219.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4507219.cif
73855	2013-02-21	cif/ Adding structures of 4507219, 4507220, 4507221, 4507222 via cif-deposit CGI script.	4507219.cif