Crystallography Open Database

Information card for entry 4104991

Preview

Coordinates	4104991.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C128 H160 B8 N64 Pd6
Calculated formula	C128 H160 B8 N64 Pd6
Title of publication	Synthesis and Structure of Chemically Stable Metal-Organic Polyhedra
Authors of publication	Zheng Lu; Carolyn B. Knobler; Hiroyasu Furukawa; Bo Wang; Guannan Liu; Omar M. Yaghi
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	12532 - 12533
a	16.9134 ± 0.0003 Å
b	16.9134 ± 0.0003 Å
c	34.344 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	9824.6 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	128
Hermann-Mauguin space group symbol	P 4/m n c
Hall space group symbol	-P 4 2n
Residual factor for all reflections	0.0655
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for significantly intense reflections	0.1558
Weighted residual factors for all reflections included in the refinement	0.1587
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178795 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/49.	4104991.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104991.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104991.cif
30168	2011-11-09	../uploads/cif-deposit/cod/cif Adding structures of 4104991 via cif-deposit CGI script.	4104991.cif