Crystallography Open Database

Information card for entry 7114257

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Coordinates	7114257.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C192 H168 N36 O36 Pd6
Calculated formula	C365 H168 N24 O9 Pd6
Title of publication	A molecular sphere of octahedral symmetryElectronic supplementary information (ESI) available: crystallography section; Figs. S1???S8: 1H NMR spectrum for 1. 1H, H???H COSY, NOESY, C???H COSY, 13C, DEPT NMR and CSI???MS spectra for 2. See http://www.rsc.org/suppdata/cc/b2/b206625b/
Authors of publication	Chand, Dillip Kumar; Biradha, Kumar; Fujita, Makoto; Sakamoto, Shigeru; Yamaguchi, Kentaro
Journal of publication	Chemical Communications
Year of publication	2002
Journal issue	21
Pages of publication	2486
a	34.312 ± 0.004 Å
b	34.312 ± 0.004 Å
c	29.063 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	34216 ± 7 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	134
Hermann-Mauguin space group symbol	P 42/n n m :2
Hall space group symbol	-P 4ac 2bc
Residual factor for all reflections	0.2748
Residual factor for significantly intense reflections	0.1203
Weighted residual factors for significantly intense reflections	0.28
Weighted residual factors for all reflections included in the refinement	0.3134
Goodness-of-fit parameter for all reflections included in the refinement	1.397
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
180256 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/42.	7114257.cif
116645	2014-06-13	cif/ Adding structures of 7114257 via cif-deposit CGI script.	7114257.cif