Crystallography Open Database

Information card for entry 4307010

Preview

Coordinates	4307010.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H41 Cu N4.6 O10 S3
Calculated formula	C47 H39 Cu N4.6 O10 S3
Title of publication	Three Guest-Including Coordination Solids from a Single Crystallization: A Discrete Cage and Open-Channel Networks from 1-D Ladders and 1-D Ribbons
Authors of publication	Amir H. Mahmoudkhani; George K. H. Shimizu
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	1593 - 1602
a	17.793 ± 0.004 Å
b	39.817 ± 0.008 Å
c	10.563 ± 0.002 Å
α	90°
β	112.07 ± 0.03°
γ	90°
Cell volume	6935 ± 3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.108
Residual factor for significantly intense reflections	0.093
Weighted residual factors for significantly intense reflections	0.253
Weighted residual factors for all reflections included in the refinement	0.273
Goodness-of-fit parameter for all reflections included in the refinement	1.155
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4307010.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307010.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307010.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307010.cif