Crystallography Open Database

Information card for entry 7048711

Preview

Coordinates	7048711.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H35 Cl3 N4 Ni2 O3
Calculated formula	C27 H35 Cl3 N4 Ni2 O3
Title of publication	Anion-mediated bio-relevant catalytic activity of dinuclear nickel(ii) complexes derived from an end-off compartmental ligand.
Authors of publication	Chakraborty, Tonmoy; Mukherjee, Somali; Dasgupta, Sanchari; Biswas, Biplab; Das, Debasis
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	8
Pages of publication	2772 - 2784
a	17.6797 ± 0.0016 Å
b	12.8141 ± 0.0016 Å
c	14.3303 ± 0.0015 Å
α	90°
β	114.391 ± 0.005°
γ	90°
Cell volume	2956.8 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0426
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0956
Weighted residual factors for all reflections included in the refinement	0.1017
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
223957 (current)	2019-11-07	cif/ Updating files of 7048710, 7048711, 7048712 Original log message: Adding full bibliography for 7048710--7048712.cif.	7048711.cif
213304	2019-01-25	cif/ Adding structures of 7048710, 7048711, 7048712 via cif-deposit CGI script.	7048711.cif