Crystallography Open Database

Information card for entry 4077961

Preview

Coordinates	4077961.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H50 B3 D18 F8 N3 P3 Rh
Calculated formula	C69 H68 B3 F8 N3 P3 Rh
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	12.9713 ± 0.001 Å
b	13.0463 ± 0.001 Å
c	19.7923 ± 0.0015 Å
α	80.6362 ± 0.001°
β	76.7235 ± 0.001°
γ	79.77 ± 0.001°
Cell volume	3182 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0692
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.098
Weighted residual factors for all reflections included in the refinement	0.1111
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4077961.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077961.cif
57645	2012-05-18	cif/ Adding structures of 4077960, 4077961, 4077962, 4077963 via cif-deposit CGI script.	4077961.cif