Crystallography Open Database

Information card for entry 4112680

Preview

Coordinates	4112680.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C110 H119 Cl3 N9 O12 P3 Pt3
Calculated formula	C110 H110 Cl3 N9 O12 P3 Pt3
Title of publication	Structural and Spectroscopic Studies on Pt...Pt and π-π Interactions in Luminescent Multinuclear Cyclometalated Platinum(II) Homologues Tethered by Oligophosphine Auxiliaries
Authors of publication	Wei Lu; Michael C. W. Chan; Nianyong Zhu; Chi-Ming Che; Chuannan Li; Zheng Hui
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	7639 - 7651
a	59.405 ± 0.012 Å
b	13.579 ± 0.003 Å
c	29.636 ± 0.006 Å
α	90°
β	108.55 ± 0.03°
γ	90°
Cell volume	22664 ± 9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0852
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1788
Weighted residual factors for all reflections included in the refinement	0.1881
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178897 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/26.	4112680.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112680.cif
65089	2012-09-04	cif/ Adding structures of 4112680 via cif-deposit CGI script.	4112680.cif