Crystallography Open Database

Information card for entry 4078549

Preview

Coordinates	4078549.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H53 B F4 Ir O3.5 Os P4
Calculated formula	C58 H53 B F4 Ir O3.5 Os P4
Title of publication	Diverse Coordination Modes and Transformations of Allenes at Adjacent Iridium/Osmium Centers
Authors of publication	MacDougall, Tiffany J.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	12
Pages of publication	4516
a	12.7514 ± 0.0005 Å
b	13.2551 ± 0.0005 Å
c	17.0522 ± 0.0007 Å
α	79.0395 ± 0.0005°
β	78.3979 ± 0.0004°
γ	68.9294 ± 0.0004°
Cell volume	2612.54 ± 0.18 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0539
Weighted residual factors for all reflections included in the refinement	0.0619
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4078549.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078549.cif
62412	2012-07-07	cif/ Adding structures of 4078548, 4078549, 4078550 via cif-deposit CGI script.	4078549.cif