Crystallography Open Database

Information card for entry 4347894

Preview

Coordinates	4347894.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H108 Ge14 O90 Pr12
Calculated formula	C51.74 H100 Ge14 O90 Pr12
Title of publication	Lanthanide Germanate Cluster Organic Frameworks Based on {Ln8Ge12} Clusters: From One-Dimensional Chains to Two-Dimensional Layers and Three-Dimensional Frameworks.
Authors of publication	Li, Lei-Lei; Cao, Gao-Juan; Zhao, Jun-Wei; He, Huan; Yang, Bai-Feng; Yang, Guo-Yu
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	11
Pages of publication	5671 - 5683
a	17.7742 ± 0.0003 Å
b	25.4947 ± 0.0004 Å
c	27.3526 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	12394.8 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0404
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0782
Weighted residual factors for all reflections included in the refinement	0.083
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
232573 (current)	2019-11-23	cif/ Adding structures of 4347894 via cif-deposit CGI script.	4347894.cif