Crystallography Open Database

Information card for entry 4064474

Preview

Coordinates	4064474.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H52 Cl3 Hf P2 Ru
Calculated formula	C37 H52 Cl3 Hf P2 Ru
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	10.0997 ± 0.0005 Å
b	13.8189 ± 0.0005 Å
c	15.2016 ± 0.0008 Å
α	80.0785 ± 0.0014°
β	74.0762 ± 0.0015°
γ	69.2253 ± 0.0012°
Cell volume	1900.93 ± 0.15 Å³
Cell temperature	173.1 K
Ambient diffraction temperature	173.1 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	0.0442
Weighted residual factors for all reflections included in the refinement	0.1305
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.	4064474.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064474.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064474.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.	4064474.cif