Crystallography Open Database

Information card for entry 7037684

Preview

Coordinates	7037684.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H50 Cl Mo N3 Si
Calculated formula	C30 H50 Cl Mo N3 Si
SMILES	[Mo](Cl)(=Nc1c(cccc1C(C)C)C(C)C)(=Nc1c(cccc1C(C)C)C(C)C)N([SiH](C)C)C(C)(C)C
Title of publication	Hydridosilylamido complexes of Ta and Mo isolobal with Berry's zirconocenes: syntheses, β-Si-H agostic interactions, catalytic hydrosilylation, and insight into mechanism.
Authors of publication	McLeod, Nicolas A.; Kuzmina, Lyudmila G.; Korobkov, Ilia; Howard, Judith A. K.; Nikonov, Georgii I.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	6
Pages of publication	2554 - 2561
a	10.1926 ± 0.0008 Å
b	10.7193 ± 0.0009 Å
c	16.7763 ± 0.0017 Å
α	71.491 ± 0.003°
β	86.247 ± 0.005°
γ	69.622 ± 0.003°
Cell volume	1627.2 ± 0.3 Å³
Cell temperature	123.15 K
Ambient diffraction temperature	123.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0999
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.1366
Weighted residual factors for all reflections included in the refinement	0.1477
Goodness-of-fit parameter for all reflections included in the refinement	0.928
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
177801 (current)	2016-03-05	cif/ Updating files of 7037684, 7037685 Original log message: Adding full bibliography for 7037684--7037685.cif.	7037684.cif
171617	2015-12-19	cif/ Adding structures of 7037684, 7037685 via cif-deposit CGI script.	7037684.cif