Crystallography Open Database

Information card for entry 2236806

Preview

Coordinates	2236806.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>trans</i>-Bis[1,2- bis(diphenylphosphanyl)ethane]chlorido(ethynyl)ruthenium(II)
Formula	C54 H49 Cl P4 Ru
Calculated formula	C54 H49 Cl P4 Ru
Title of publication	<i>trans</i>-Bis[1,2-bis(diphenylphosphanyl)ethane]chlorido(ethynyl)ruthenium(II)
Authors of publication	Trujillo, Alexander; Fuentealba, Mauricio; Arratia-Perez, Ramiro; Howard, Judith A. K.
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	12
Pages of publication	m1445
a	10.92406 ± 0.00018 Å
b	16.0826 ± 0.0002 Å
c	13.2228 ± 0.0002 Å
α	90°
β	105.255 ± 0.0017°
γ	90°
Cell volume	2241.22 ± 0.06 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0386
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0675
Weighted residual factors for all reflections included in the refinement	0.0717
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2236806.cif
120072	2014-07-11	Adding DOIs to range 2 structures.	2236806.cif
71053	2013-01-18	cif/ Adding structures of 2236806 via cif-deposit CGI script.	2236806.cif