Crystallography Open Database

Information card for entry 4117661

Preview

Coordinates	4117661.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H60 In3 N Nd2 O31
Calculated formula	C81 H45 In3 N0.99 Nd2 O28
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	27.1319 ± 0.0003 Å
b	27.1319 ± 0.0003 Å
c	27.1319 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	19972.9 ± 0.4 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	0.0924
Residual factor for significantly intense reflections	0.0772
Weighted residual factors for significantly intense reflections	0.2302
Weighted residual factors for all reflections included in the refinement	0.2525
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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.	4117661.cif
74782	2013-03-03	cif/ Adding structures of 4117661 via cif-deposit CGI script.	4117661.cif