Crystallography Open Database

Information card for entry 4307009

Preview

Coordinates	4307009.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C115 H99 Cu3 N13.4 O19 S6
Calculated formula	C115 H97 Cu3 N13.4 O19 S6
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	10.51 ± 0.002 Å
b	14.158 ± 0.003 Å
c	21.748 ± 0.004 Å
α	108.91 ± 0.03°
β	93.16 ± 0.03°
γ	90.43 ± 0.03°
Cell volume	3055.7 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.111
Residual factor for significantly intense reflections	0.079
Weighted residual factors for significantly intense reflections	0.223
Weighted residual factors for all reflections included in the refinement	0.249
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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.	4307009.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307009.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307009.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307009.cif