Crystallography Open Database

Information card for entry 4342052

4342051 << 4342052 >> 4342053

Preview

Coordinates	4342052.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H88.5 B2 Cl9.5 Ir2 N4 Pd S2
Calculated formula	C81 H83 B2 Cl9.4996 Ir2 N4 Pd S2
Title of publication	Chelated Bis-N-heterocyclic Carbene Platinum and Palladium Units as Tunable Components of Multinuclear Complexes.
Authors of publication	Maeda, Yuri; Hashimoto, Hideki; Kinoshita, Isamu; Nishioka, Takanori
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	2
Pages of publication	448 - 459
a	14.102 ± 0.003 Å
b	20.038 ± 0.004 Å
c	30.732 ± 0.006 Å
α	90°
β	101.799 ± 0.003°
γ	90°
Cell volume	8501 ± 3 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for all reflections included in the refinement	0.1241
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
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.	4342052.cif
130489	2015-02-04	cif/ Updating files of 4342042, 4342043, 4342044, 4342045, 4342046, 4342047, 4342048, 4342049, 4342050, 4342051, 4342052 Original log message: Adding full bibliography for 4342042--4342052.cif.	4342052.cif
129777	2015-01-17	cif/ Adding structures of 4342042, 4342043, 4342044, 4342045, 4342046, 4342047, 4342048, 4342049, 4342050, 4342051, 4342052 via cif-deposit CGI script.	4342052.cif