Crystallography Open Database

Information card for entry 7016997

Preview

Coordinates	7016997.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C101 H68 B2 Cl2 F48 Ir2 N8
Calculated formula	C101 H68 B2 Cl2 F48 Ir2 N8
Title of publication	Synthesis and structures of homo- and heterobimetallic rhodium(i) and/or iridium(i) complexes of binucleating bis(1-pyrazolyl)methane ligands.
Authors of publication	Ho, Joanne H. H.; Wagler, Jörg; Willis, Anthony C.; Messerle, Barbara A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	41
Pages of publication	11031 - 11042
a	12.5673 ± 0.0001 Å
b	17.6438 ± 0.0002 Å
c	24.3971 ± 0.0002 Å
α	86.7 ± 0.001°
β	89.24 ± 0.001°
γ	77.418 ± 0.001°
Cell volume	5271.02 ± 0.09 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0529
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.1019
Weighted residual factors for all reflections included in the refinement	0.1085
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7016997.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7016997.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7016997.cif
30012	2011-11-09	../uploads/cif-deposit/cod/cif Adding structures of 7016989, 7016990, 7016991, 7016992, 7016993, 7016994, 7016995, 7016996, 7016997 via cif-deposit CGI script.	7016997.cif