Crystallography Open Database

Information card for entry 7240032

Preview

Coordinates	7240032.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H54 N12 Ni3 O22
Calculated formula	C72 H54 N12 Ni3 O22
Title of publication	Metal/N-donor-induced versatile structures and properties of seven 0D →3D complexes based on dpq/dppz and O-bridged tricarboxylate: fluorescence and electrochemical behaviors
Authors of publication	Liu, Guocheng; Liang, Shuang; Li, Qiaomin; Guo, Jiao; Xu, Na; Wang, Xiuli; Li, Yan; Chen, Baokuan
Journal of publication	CrystEngComm
Year of publication	2020
Journal volume	22
Journal issue	7
Pages of publication	1209 - 1219
a	31.9886 ± 0.0019 Å
b	14.0007 ± 0.0007 Å
c	15.8473 ± 0.0008 Å
α	90°
β	98.91 ± 0.002°
γ	90°
Cell volume	7011.8 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0775
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.118
Weighted residual factors for all reflections included in the refinement	0.134
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
257480 (current)	2020-10-06	cif/ Updating files of 7240030, 7240031, 7240032, 7240033, 7240034, 7240035, 7240036 Original log message: Adding full bibliography for 7240030--7240036.cif.	7240032.cif
248757	2020-03-04	cif/ Adding structures of 7240030, 7240031, 7240032, 7240033, 7240034, 7240035, 7240036 via cif-deposit CGI script.	7240032.cif