Crystallography Open Database

Information card for entry 4067693

Preview

Coordinates	4067693.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H48 B Cl3 Mo N6 O2 P Rh Se Si
Calculated formula	C42 H48 B Cl3 Mo N6 O2 P Rh Se Si
Title of publication	A Bridging Selenoacyl Complex via Alkynylselenolatoalkylidyne Rearrangement
Authors of publication	Caldwell, Lorraine M.; Cordiner, Richard L.; Hill, Anthony F.; Wagler, Jörg
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	7
Pages of publication	1526
a	9.9653 ± 0.0001 Å
b	15.1096 ± 0.0002 Å
c	15.8416 ± 0.0003 Å
α	91 ± 0.001°
β	98.005 ± 0.001°
γ	100.577 ± 0.001°
Cell volume	2319.65 ± 0.06 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	11
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0541
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0686
Weighted residual factors for all reflections included in the refinement	0.0733
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4067693.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067693.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067693.cif
34266	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067693 via cif-deposit CGI script.	4067693.cif