Crystallography Open Database

Information card for entry 4308772

Preview

Coordinates	4308772.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H47 F6 N3 O2 P3 Rh
Calculated formula	C43 H47 F6 N3 O2 P3 Rh
SMILES	[RhH2]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[O]=C(N[N]1=C(C)C)N.[P](F)(F)(F)(F)(F)[F-].O=C(C)C
Title of publication	Interactions of Rh(III)-Dihydrido-Bis(phosphine) Complexes with Semicarbazones
Authors of publication	Maria B. Ezhova; Brian O. Patrick; Kapila N. Sereviratne; Brian R. James; Francis J. Waller; Michael E. Ford
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	1482 - 1491
a	12.6183 ± 0.0009 Å
b	12.7951 ± 0.0005 Å
c	14.244 ± 0.001 Å
α	79.465 ± 0.002°
β	73.471 ± 0.002°
γ	83.606 ± 0.003°
Cell volume	2163.2 ± 0.2 Å³
Cell temperature	173.2 K
Ambient diffraction temperature	173.2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.056
Residual factor for significantly intense reflections	0.032
Weighted residual factors for all reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.089
Goodness-of-fit parameter for all reflections	1.131
Goodness-of-fit parameter for all reflections included in the refinement	1.131
Diffraction radiation wavelength	0.7107 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.	4308772.cif
129439	2015-01-07	cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ \| codid2file \ \| xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'\|\\?\|none)/_exptl_crystal_density_method ./i"	4308772.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308772.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308772.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4308772.cif