Crystallography Open Database

Information card for entry 4316028

Preview

Coordinates	4316028.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66.86 H57.64 B Cl0.14 F4 N3 O P4 Rh
Calculated formula	C66.857 H57.6425 B Cl0.143 F4 N3 O P4 Rh
Title of publication	Versatile New C3-Symmetric Tripodal Tetraphosphine Ligands; Structural Flexibility to Stabilize CuI and RhI Species and Tune Their Reactivity
Authors of publication	Jeroen Wassenaar; Maxime A. Siegler; Anthony L. Spek; Bas de Bruin; Joost N. H. Reek; Jarl Ivar van der Vlugt
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	6495 - 6508
a	12.6596 ± 0.0001 Å
b	13.1167 ± 0.0001 Å
c	33.9825 ± 0.0003 Å
α	90°
β	95.0149 ± 0.0003°
γ	90°
Cell volume	5621.27 ± 0.08 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0452
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0772
Weighted residual factors for all reflections included in the refinement	0.0822
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
179240 (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 4/31/60.	4316028.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316028.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316028.cif
9202	2011-02-09	../uploads/cif-deposit/cod/cif Adding structures of 4316028 via cif-deposit CGI script.	4316028.cif