Crystallography Open Database

Information card for entry 1507976

Preview

Coordinates	1507976.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22.5 H24 Cl3 P Pt S
Calculated formula	C22.5 H23 Cl3 P Pt S
Title of publication	A coordination chemistry dichotomy for icosahedral carborane-based ligands.
Authors of publication	Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A.
Journal of publication	Nature chemistry
Year of publication	2011
Journal volume	3
Journal issue	8
Pages of publication	590 - 596
a	11.574 ± 0.0002 Å
b	13.787 ± 0.0003 Å
c	14.616 ± 0.0003 Å
α	90°
β	99.605 ± 0.0011°
γ	90°
Cell volume	2299.59 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0556
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0582
Weighted residual factors for all reflections included in the refinement	0.0632
Goodness-of-fit parameter for all reflections included in the refinement	0.952
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1507976.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507976.cif
62522	2012-07-09	cif/ Adding structures of 1507976 via cif-deposit CGI script.	1507976.cif