Crystallography Open Database

Information card for entry 7232062

7232061 << 7232062 >> 7232063

Preview

Coordinates	7232062.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H54 F18 N16 Ni4 O26 S6
Calculated formula	C62 H40 F18 N16 Ni4 O26 S6
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	12.452 ± 0.0005 Å
b	13.7523 ± 0.0006 Å
c	25.1444 ± 0.0009 Å
α	91.559 ± 0.001°
β	95.731 ± 0.001°
γ	102.126 ± 0.001°
Cell volume	4183.6 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0616
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.14
Weighted residual factors for all reflections included in the refinement	0.1528
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7232062.cif
212917	2019-01-11	cif/ Adding structures of 7232062, 7232063, 7232064, 7232065, 7232066 via cif-deposit CGI script.	7232062.cif