Crystallography Open Database

Information card for entry 4326672

Preview

Coordinates	4326672.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H26 Fe In2 N6 O Se5
Calculated formula	C36 H24 Fe In2 N6 O Se5
Title of publication	1-D Selenidoindates {[In2Se5]}∞directed by Chiral Metal Complex Cations of 1,10-Phenanthroline
Authors of publication	Xu Zhang; Zhi-Xin Lei; Wen Luo; Wen-Qin Mu; Xiang Zhang; Qin-Yu Zhu; Jie Dai
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	10872 - 10877
a	14.498 ± 0.004 Å
b	14.654 ± 0.004 Å
c	17.852 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	3792.7 ± 1.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.124
Residual factor for significantly intense reflections	0.0801
Weighted residual factors for significantly intense reflections	0.0999
Weighted residual factors for all reflections included in the refinement	0.1165
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4326672.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326672.cif
49446	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4326672 via cif-deposit CGI script.	4326672.cif