Crystallography Open Database

Information card for entry 7048710

Preview

Coordinates	7048710.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H44 N7 Ni2 O18.5
Calculated formula	C25 H44 N7 Ni2 O18.5
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	15.755 ± 0.003 Å
b	11.78 ± 0.002 Å
c	20.929 ± 0.004 Å
α	90°
β	109.538 ± 0.002°
γ	90°
Cell volume	3660.6 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0707
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.1161
Weighted residual factors for all reflections included in the refinement	0.1277
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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.	7048710.cif
213304	2019-01-25	cif/ Adding structures of 7048710, 7048711, 7048712 via cif-deposit CGI script.	7048710.cif