Crystallography Open Database

Information card for entry 1507967

Preview

Coordinates	1507967.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40.3 H38.6 B2 Cl0.6 F8 P2 Pt S2
Calculated formula	C40.3 H38.6 B2 Cl0.6 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	9.4556 ± 0.0008 Å
b	18.6226 ± 0.001 Å
c	24.1172 ± 0.0015 Å
α	90°
β	98.277 ± 0.004°
γ	90°
Cell volume	4202.5 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0694
Residual factor for significantly intense reflections	0.0603
Weighted residual factors for significantly intense reflections	0.1366
Weighted residual factors for all reflections included in the refinement	0.1419
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	1507967.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507967.cif
62513	2012-07-09	cif/ Adding structures of 1507967 via cif-deposit CGI script.	1507967.cif