Crystallography Open Database

Information card for entry 1507963

Preview

Coordinates	1507963.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H64 B22 Cl6 F8 P2 Pt S2
Calculated formula	C36.5 H59 B22 Cl F8 P2 Pt S2
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	26.1737 ± 0.0005 Å
b	19.4713 ± 0.0004 Å
c	26.191 ± 0.0005 Å
α	90°
β	118.272 ± 0.001°
γ	90°
Cell volume	11755.6 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.0963
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1446
Weighted residual factors for all reflections included in the refinement	0.1552
Goodness-of-fit parameter for all reflections included in the refinement	0.977
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1507963.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507963.cif
62509	2012-07-09	cif/ Adding structures of 1507963 via cif-deposit CGI script.	1507963.cif