Crystallography Open Database

Information card for entry 4104988

Preview

Coordinates	4104988.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H133 B8 N68 O37 Pd6
Calculated formula	C96 H133 B8 N68 O37 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	19.4691 ± 0.0005 Å
b	19.7241 ± 0.0005 Å
c	23.412 ± 0.0009 Å
α	110.754 ± 0.002°
β	93.66 ± 0.002°
γ	116.557 ± 0.001°
Cell volume	7249.7 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1135
Residual factor for significantly intense reflections	0.0872
Weighted residual factors for significantly intense reflections	0.2326
Weighted residual factors for all reflections included in the refinement	0.2558
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	4104988.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104988.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104988.cif
30165	2011-11-09	../uploads/cif-deposit/cod/cif Adding structures of 4104988 via cif-deposit CGI script.	4104988.cif