Crystallography Open Database

Information card for entry 4077962

Preview

Coordinates	4077962.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H98 B2 P6 Rh2
Calculated formula	C102 H98 B2 P6 Rh2
SMILES	[P]1([RhH]234([H][RhH]563([P](c3ccccc3)(c3ccccc3)C[B](c3ccccc3)(C[P]5(c3ccccc3)c3ccccc3)C[P]6(c3ccccc3)c3ccccc3)[H]4)[P](c3ccccc3)(c3ccccc3)C[B](C1)(c1ccccc1)C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1.c1ccccc1
Title of publication	Easy Access to Hydride Chemistry on a Tripodal P-Based Rhodium Scaffold
Authors of publication	Tejel, Cristina; Geer, Ana M.; Jiménez, Sonia; López, José A.; Ciriano, Miguel A.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	7
Pages of publication	2895
a	12.435 ± 0.002 Å
b	12.972 ± 0.002 Å
c	14.316 ± 0.003 Å
α	91.63 ± 0.002°
β	100.044 ± 0.002°
γ	114.017 ± 0.002°
Cell volume	2064.3 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0915
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1045
Weighted residual factors for all reflections included in the refinement	0.1221
Goodness-of-fit parameter for all reflections included in the refinement	0.986
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
178668 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/79.	4077962.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077962.cif
57645	2012-05-18	cif/ Adding structures of 4077960, 4077961, 4077962, 4077963 via cif-deposit CGI script.	4077962.cif