Crystallography Open Database

Information card for entry 4102412

Preview

Coordinates	4102412.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H80 As4 I2 Pt2
Calculated formula	C84 H80 As4 I2 Pt2
Title of publication	Unprecedented Near-Infrared (NIR) Emission in Diplatinum(III) (d7-d7) Complexes at Room Temperature
Authors of publication	Martin A. Bennett; Suresh K. Bhargava; Eddie Chung-Chin Cheng; Wai Han Lam; Terence Kwok-Ming Lee; Steven H. Privér; Jörg Wagler; Anthony C. Willis; Wing-Wah Yam, Vivian
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	7094 - 7103
a	14.2887 ± 0.0005 Å
b	21.2992 ± 0.0008 Å
c	24.2678 ± 0.0009 Å
α	90°
β	105.115 ± 0.0017°
γ	90°
Cell volume	7130.1 ± 0.5 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0926
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for all reflections	0.0959
Weighted residual factors for significantly intense reflections	0.0766
Weighted residual factors for all reflections included in the refinement	0.0959
Goodness-of-fit parameter for all reflections included in the refinement	1.0133
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4102412.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4102412.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102412.cif
25285	2011-09-10	../uploads/cif-deposit/cod/cif Adding structures of 4102412 via cif-deposit CGI script.	4102412.cif