Crystallography Open Database

Information card for entry 4067820

Preview

Coordinates	4067820.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H47 F3 N4 O4 Pt S
Calculated formula	C31 H47 F3 N4 O4 Pt S
Title of publication	A Cationic NCN Pincer Platinum(II) Aquo Complex with a Bis(imidazolinyl)phenyl Ligand: Studies toward its Synthesis and Asymmetric Friedel‒Crafts Alkylation of Indoles with Nitroalkenes
Authors of publication	Hao, Xin-Qi; Xu, Yan-Xiao; Yang, Ming-Jun; Wang, Li; Niu, Jun-Long; Gong, Jun-Fang; Song, Mao-Ping
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	3
Pages of publication	835
a	6.3569 ± 0.0006 Å
b	22.374 ± 0.002 Å
c	24.541 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3490.4 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1035
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.0987
Weighted residual factors for all reflections included in the refinement	0.1182
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
178569 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/78.	4067820.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067820.cif
37992	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4067816, 4067817, 4067818, 4067819, 4067820, 4067821 via cif-deposit CGI script.	4067820.cif