Crystallography Open Database

Information card for entry 4117659

Preview

Coordinates	4117659.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H37 In3 N3 Nd O26
Calculated formula	C36 H30 In3 N3 Nd O25.99
Title of publication	Development of Composite Inorganic Building Blocks for MOFs
Authors of publication	Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	4517 - 4520
a	16.8753 ± 0.0013 Å
b	16.8753 ± 0.0013 Å
c	16.8753 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	4805.7 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	198
Hermann-Mauguin space group symbol	P 21 3
Hall space group symbol	P 2ac 2ab 3
Residual factor for all reflections	0.0712
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1272
Weighted residual factors for all reflections included in the refinement	0.1406
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
178947 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/76.	4117659.cif
74780	2013-03-03	cif/ Adding structures of 4117659 via cif-deposit CGI script.	4117659.cif