Crystallography Open Database

Information card for entry 7037403

Preview

Coordinates	7037403.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H52 Co2 N8 O12
Calculated formula	C61 H52 Co2 N8 O12
Title of publication	Hydrothermal synthesis and structural characterization of metal-organic frameworks based on new tetradentate ligands.
Authors of publication	Liang, Yue; Yuan, Wei-Guan; Zhang, Shu-Fang; He, Zhan; Xue, Junru; Zhang, Xia; Jing, Lin-Hai; Qin, Da-Bin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	4
Pages of publication	1382 - 1390
a	14.4417 ± 0.0003 Å
b	23.1157 ± 0.0008 Å
c	25.9453 ± 0.001 Å
α	114.309 ± 0.004°
β	100.856 ± 0.003°
γ	97.74 ± 0.002°
Cell volume	7531.1 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1136
Residual factor for significantly intense reflections	0.0845
Weighted residual factors for significantly intense reflections	0.1746
Weighted residual factors for all reflections included in the refinement	0.1856
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
176019 (current)	2016-02-05	cif/ Updating files of 7037401, 7037402, 7037403 Original log message: Adding full bibliography for 7037401--7037403.cif.	7037403.cif
170499	2015-11-24	cif/ Adding structures of 7037401, 7037402, 7037403 via cif-deposit CGI script.	7037403.cif