Crystallography Open Database

Information card for entry 7049064

Preview

Coordinates	7049064.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H82 N16 Nd2 O30 Zn4
Calculated formula	C70 H82 N16 Nd2 O30 Zn4
Title of publication	Hexanuclear 3d-4f complexes as efficient catalysts for converting CO<sub>2</sub> into cyclic carbonates.
Authors of publication	Gao, Guoshu; Wang, Li; Zhang, Ruilian; Xu, Cong; Yang, Huan; Liu, Weisheng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	12
Pages of publication	3941 - 3945
a	14.1749 ± 0.0005 Å
b	20.122 ± 0.0008 Å
c	14.541 ± 0.0005 Å
α	90°
β	91.984 ± 0.003°
γ	90°
Cell volume	4145 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0527
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.0843
Weighted residual factors for all reflections included in the refinement	0.0912
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
224574 (current)	2019-11-08	cif/ Updating files of 7049062, 7049063, 7049064 Original log message: Adding full bibliography for 7049062--7049064.cif.	7049064.cif
213715	2019-02-20	cif/ Adding structures of 7049062, 7049063, 7049064 via cif-deposit CGI script.	7049064.cif