Crystallography Open Database

Information card for entry 7242518

Preview

Coordinates	7242518.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H46 Cl2 F4 Fe2 N12 Ni2 O6
Calculated formula	C60 H46 Cl2 F4 Fe2 N12 Ni2 O6
Title of publication	Structural diversity and magnetic properties of six ferrocenyl monocarboxylate Mn(ii), Ni(ii) and Co(ii) complexes with 1D aqua, carboxyl or dinuclear hydroxyl bridges
Authors of publication	Khan, Misbha Rafiq; Niu, Xiaoge; Chen, Tianling; Liu, Yan; Liu, Zhongyi; Liu, Bin; Zhang, Yuxia; Li, Jinpeng
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	17
Pages of publication	3185 - 3195
a	10.381 ± 0.002 Å
b	11.074 ± 0.002 Å
c	13.337 ± 0.003 Å
α	96.62 ± 0.03°
β	95.19 ± 0.03°
γ	92.49 ± 0.03°
Cell volume	1514.5 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0659
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.089
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
265945 (current)	2021-06-05	cif/ Updating files of 7242515, 7242516, 7242517, 7242518, 7242519, 7242520 Original log message: Adding full bibliography for 7242515--7242520.cif.	7242518.cif
263299	2021-03-25	cif/ Adding structures of 7242515, 7242516, 7242517, 7242518, 7242519, 7242520 via cif-deposit CGI script.	7242518.cif