Crystallography Open Database

Information card for entry 7108792

Preview

Coordinates	7108792.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H76 F18 N13 O P3 Pd3
Calculated formula	C57 H76 F18 N13 O P3 Pd3
Title of publication	Metal center dependent coordination modes of a tricarbene ligand
Authors of publication	Ramananda Maity; Arnab Rit; Christian Schulte to Brinke; Constantin G. Daniliuc; F. Ekkehardt Hahn
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	49
Pages of publication	1011
a	23.388 ± 0.003 Å
b	28.553 ± 0.005 Å
c	10.7407 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	7172.6 ± 1.9 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	7
Space group number	55
Hermann-Mauguin space group symbol	P b a m
Hall space group symbol	-P 2 2ab
Residual factor for all reflections	0.1088
Residual factor for significantly intense reflections	0.0642
Weighted residual factors for significantly intense reflections	0.1894
Weighted residual factors for all reflections included in the refinement	0.2193
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180191 (current)	2016-03-26	cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/87.	7108792.cif
106664	2014-03-15	cif/ (saulius@koala.ibt.lt) Adding DOIs to the rest of the Chem. Comm. files. Some of these files have author names differing from PubMed in diacritics (either diacritics are omitted or we have encoding problems); or they have a year difference of 1. However, since first pages always match and author names are variants of each other, I assume that DOIs are assigned correctly.	7108792.cif
70870	2013-01-10	cif/ Adding structures of 7108792, 7108793 via cif-deposit CGI script.	7108792.cif