Crystallography Open Database

Information card for entry 7111211

Preview

Coordinates	7111211.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C168 H196 Cl12 N48 O2 Pd6
Calculated formula	C168 H192 Cl12 N48 O2 Pd6
Title of publication	Assembly of supermolecular complexes from the tripodal ligand titmb: assembly of a large M6L8 cage from 14 components
Authors of publication	Liu, Hong-Ke; Tong, Xiaojun
Journal of publication	Chemical Communications
Year of publication	2002
Journal issue	12
Pages of publication	1316
a	32.522 ± 0.011 Å
b	36.623 ± 0.012 Å
c	22.607 ± 0.008 Å
α	90°
β	98.049 ± 0.006°
γ	90°
Cell volume	26661 ± 16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2273
Residual factor for significantly intense reflections	0.0976
Weighted residual factors for significantly intense reflections	0.2708
Weighted residual factors for all reflections included in the refinement	0.3381
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
180226 (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 7/11/12.	7111211.cif
96356	2014-01-29	cif/ Adding structures of 7111211 via cif-deposit CGI script.	7111211.cif