Crystallography Open Database

Information card for entry 7032802

Preview

Coordinates	7032802.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H43 Cl N6 Ni O6 P2
Calculated formula	C46 H43 Cl N6 Ni O6 P2
Title of publication	P,C-bond cleavage in the ligand sphere of a nickel(II) complex.
Authors of publication	Walg, Simon P.; Schmidt, Alexandra D.; Schmitz, Marcus; Farsadpour, Saeid; Lang, Johannes; Niebergall, Mark; Sun, Yu; Roesky, Peter W.; Niedner-Schatteburg, Gereon; Thiel, Werner R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	3
Pages of publication	1317 - 1322
a	11.6115 ± 0.0007 Å
b	13.4918 ± 0.0009 Å
c	14.9171 ± 0.001 Å
α	87.203 ± 0.005°
β	75.689 ± 0.006°
γ	70.567 ± 0.006°
Cell volume	2134 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0599
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.131
Weighted residual factors for all reflections included in the refinement	0.1386
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180034 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/28.	7032802.cif
131032	2015-02-04	cif/ Updating files of 7032802 Original log message: Adding full bibliography for 7032802.cif.	7032802.cif
125345	2014-10-15	cif/ Adding structures of 7032802 via cif-deposit CGI script.	7032802.cif