Crystallography Open Database

Information card for entry 4120666

4120665 << 4120666 >> 4120667

Preview

Coordinates	4120666.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C130 H192 Cl2 N43.67 O61.1 P2 Pd6 Pt Si2
Calculated formula	C130 H192 Cl2 N43.678 O61.063 P2 Pd6 Pt Si2
Title of publication	Metal-Organic Proximity in a Synthetic Pocket.
Authors of publication	Kohyama, Yuh; Murase, Takashi; Fujita, Makoto
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	8
Pages of publication	2966
a	22.628 ± 0.003 Å
b	22.198 ± 0.003 Å
c	41.504 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	20847 ± 5 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	9
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0999
Residual factor for significantly intense reflections	0.0744
Weighted residual factors for significantly intense reflections	0.2045
Weighted residual factors for all reflections included in the refinement	0.2232
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4120666.cif
106657	2014-03-15	cif/ Adding structures of 4120666 via cif-deposit CGI script.	4120666.cif