Crystallography Open Database

Information card for entry 7049030

Preview

Coordinates	7049030.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H67 B2 N5 Ni O2
Calculated formula	C67 H67 B2 N5 Ni O2
Title of publication	Synthesis and magnetic studies of pentagonal bipyramidal metal complexes of Fe, Co and Ni.
Authors of publication	Deng, Yi-Fei; Yao, Binling; Zhan, Peng-Zhi; Gan, Dexuan; Zhang, Yuan-Zhu; Dunbar, Kim R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	10
Pages of publication	3243 - 3248
a	16.409 ± 0.01 Å
b	19.183 ± 0.011 Å
c	17.634 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	5551 ± 6 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110.15 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.095
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1054
Weighted residual factors for all reflections included in the refinement	0.1275
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
223804 (current)	2019-11-07	cif/ Updating files of 7049028, 7049029, 7049030 Original log message: Adding full bibliography for 7049028--7049030.cif.	7049030.cif
213652	2019-02-15	cif/ Adding structures of 7049028, 7049029, 7049030 via cif-deposit CGI script.	7049030.cif