Crystallography Open Database

Information card for entry 4310175

Preview

Coordinates	4310175.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H35 B N4 P Rh
Calculated formula	C30 H35 B N4 P Rh
SMILES	[Rh]12345([P](c6ccccc6)(c6ccccc6)C[B](n6[n]1ccc6)(n1[n]2ccc1)CC=C)[CH]1=[CH]3CC[CH]4=[CH]5CC1
Title of publication	Unprecedented Hybrid Scorpionate/Phosphine Ligand Able To Be Anchored to Carbosilane Dendrimers
Authors of publication	Miguel A. Casado; Verena Hack; José A. Camerano; Miguel A. Ciriano; Cristina Tejel; Luis A. Oro
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	9122 - 9124
a	15.2487 ± 0.0009 Å
b	10.7799 ± 0.0006 Å
c	32.9759 ± 0.0019 Å
α	90°
β	101.649 ± 0.001°
γ	90°
Cell volume	5308.9 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0398
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.062
Weighted residual factors for all reflections included in the refinement	0.064
Goodness-of-fit parameter for all reflections included in the refinement	0.983
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
179140 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/01.	4310175.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310175.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310175.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).	4310175.cif