Crystallography Open Database

Information card for entry 4064473

Preview

Coordinates	4064473.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H50 Cl3 P2 Ru Zr
Calculated formula	C31 H43 Cl3 P2 Ru Zr
Title of publication	Synthesis of Group IV (Zr, Hf)−Group VIII (Fe, Ru) Heterobimetallic Complexes Bearing Metallocenyl Diphosphine Moieties and Their Application to Catalytic Dehydrogenation of Amine−Boranes
Authors of publication	Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	8
Pages of publication	2394
a	8.4062 ± 0.0004 Å
b	10.6464 ± 0.0006 Å
c	19.865 ± 0.0009 Å
α	81.895 ± 0.002°
β	86.898 ± 0.0012°
γ	88.501 ± 0.0019°
Cell volume	1757.19 ± 0.15 Å³
Cell temperature	294.1 K
Ambient diffraction temperature	294.1 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 significantly intense reflections	0.036
Weighted residual factors for all reflections included in the refinement	0.0713
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4064473.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064473.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064473.cif
32920	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4064473, 4064474, 4064475, 4064476, 4064477, 4064478, 4064479, 4064480, 4064481, 4064482, 4064483, 4064484 via cif-deposit CGI script.	4064473.cif