Crystallography Open Database

Information card for entry 4331897

Preview

Coordinates	4331897.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H31 O P
Calculated formula	C38 H31 O P
SMILES	c1(ccc2ccc3cccc4ccc1c2c34)CCCCOc1ccccc1P(c1ccccc1)c1ccccc1
Title of publication	Luminescence of Ruthenium Halide Complexes Containing a Hemilabile Phosphine Pyrenyl Ether Ligand
Authors of publication	Matkovich, Kristin M.; Thorne, Lisa M.; Wolf, Michael O.; Pace, Tamara C. S.; Bohne, Cornelia; Patrick, Brian O.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	12
Pages of publication	4610 - 4618
a	24.212 ± 0.003 Å
b	15.116 ± 0.001 Å
c	7.6453 ± 0.0007 Å
α	90°
β	98.276 ± 0.005°
γ	90°
Cell volume	2769 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.1336
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1031
Weighted residual factors for all reflections included in the refinement	0.1294
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179421 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/18.	4331897.cif
97954	2014-01-29	cif/ Adding structures of 4331897 via cif-deposit CGI script.	4331897.cif