Crystallography Open Database

Information card for entry 7015558

Preview

Coordinates	7015558.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H31 B Cl2 Ir N6 O P S2
Calculated formula	C31 H31 B Cl2 Ir N6 O P S2
Title of publication	Potassium S2N-heteroscorpionates: structure and iridaboratrane formation.
Authors of publication	López-Gómez, María J; Connelly, Neil G.; Haddow, Mairi F.; Hamilton, Alex; Lusi, Matteo; Baisch, Ulrich; Orpen, A. Guy
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	17
Pages of publication	4647 - 4659
a	9.5512 ± 0.0001 Å
b	17.381 ± 0.0002 Å
c	20.3269 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	3374.46 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0231
Residual factor for significantly intense reflections	0.0208
Weighted residual factors for significantly intense reflections	0.0417
Weighted residual factors for all reflections included in the refinement	0.0423
Goodness-of-fit parameter for all reflections included in the refinement	0.889
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
179859 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/55.	7015558.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015558.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015558.cif
21190	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7015552, 7015553, 7015554, 7015555, 7015556, 7015557, 7015558, 7015559 via cif-deposit CGI script.	7015558.cif