Crystallography Open Database

Information card for entry 7232063

7232062 << 7232063 >> 7232064

Preview

Coordinates	7232063.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H118 Cl12 N32 Ni8 O69
Calculated formula	C112 H80 Cl12 N32 Ni8 O69
Title of publication	Magneto-structural correlations in Ni(ii) [2 ×2] metallogrids featuring a variable number of μ-aquo or μ-hydroxo extra bridges
Authors of publication	Marino, Nadia; Bruno, Rosaria; Bentama, Abdeslem; Pascual-Álvarez, Alejandro; Lloret, Francesc; Julve, Miguel; De Munno, Giovanni
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	5
Pages of publication	917
a	12.3939 ± 0.0006 Å
b	26.0105 ± 0.0012 Å
c	26.2478 ± 0.0013 Å
α	112.794 ± 0.0015°
β	95.4248 ± 0.0017°
γ	97.6923 ± 0.0018°
Cell volume	7630.6 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1088
Residual factor for significantly intense reflections	0.0603
Weighted residual factors for significantly intense reflections	0.1418
Weighted residual factors for all reflections included in the refinement	0.1685
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
223548 (current)	2019-11-07	cif/ Updating files of 7232062, 7232063, 7232064, 7232065, 7232066 Original log message: Adding full bibliography for 7232062--7232066.cif.	7232063.cif
212917	2019-01-11	cif/ Adding structures of 7232062, 7232063, 7232064, 7232065, 7232066 via cif-deposit CGI script.	7232063.cif