Crystallography Open Database

Information card for entry 7054732

Preview

Coordinates	7054732.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22.5 H40 Cl2 Ni O3 P2
Calculated formula	C22.5 H40 Cl2 Ni O3 P2
Title of publication	Single step, high yield synthesis of para-hydroxy functionalized POCOP ligands and their Ni(ii) pincer derivatives
Authors of publication	García-Eleno, Marco A.; Padilla-Mata, Esteban; Estudiante-Negrete, Fabiola; Pichal-Cerda, Francisco; Hernández-Ortega, Simón; Toscano, Rubén A.; Morales-Morales, David
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	5
Pages of publication	3361
a	10.159 ± 0.0011 Å
b	20.23 ± 0.002 Å
c	13.9587 ± 0.0015 Å
α	90°
β	102.917 ± 0.002°
γ	90°
Cell volume	2796.2 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
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	0.07
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1141
Weighted residual factors for all reflections included in the refinement	0.1233
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7054732.cif
138792	2015-06-07	cif/ Updating files of 7054731, 7054732, 7054733, 7054734 Original log message: Adding full bibliography for 7054731--7054734.cif.	7054732.cif
134029	2015-03-18	cif/ Adding structures of 7054731, 7054732, 7054733, 7054734 via cif-deposit CGI script.	7054732.cif