Crystallography Open Database

Information card for entry 7110276

Preview

Coordinates	7110276.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H38 Cl6 F36 Ir2 N3 O13 P6
Calculated formula	C29 H38 Cl6 F36 Ir2 N3 O13 P6
Title of publication	Water addition to a two-electron mixed-valence bimetallic center
Authors of publication	Veige, Adam S.; Nocera, Daniel G.
Journal of publication	Chemical Communications
Year of publication	2004
Journal issue	17
Pages of publication	1958 - 1959
a	12.986 ± 0.003 Å
b	13.113 ± 0.003 Å
c	20.921 ± 0.004 Å
α	90.11 ± 0.03°
β	94.36 ± 0.03°
γ	114.35 ± 0.03°
Cell volume	3234.1 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0886
Residual factor for significantly intense reflections	0.0683
Weighted residual factors for significantly intense reflections	0.123
Weighted residual factors for all reflections included in the refinement	0.1293
Goodness-of-fit parameter for all reflections included in the refinement	1.179
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
180216 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/02.	7110276.cif
173444	2016-01-04	cif/ (antanas@kurmis) Updating bibliographies for multiple entries in range 7.	7110276.cif
94338	2014-01-23	cif/ Adding structures of 7110276, 7110277 via cif-deposit CGI script.	7110276.cif