Crystallography Open Database

Information card for entry 4336990

Preview

Coordinates	4336990.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H126 Cl2 N6 O15 Pb
Calculated formula	C98 H126 N6 O7 Pb
Title of publication	Coordination of Lead(II) in the Supramolecular Environment Provided by a "Two-Story" Calix[6]arene-based N6 Ligand
Authors of publication	Diana Over; Xianshun Zeng; Claudia Bornholdt; Jérôme Marrot; Olivia Reinaud
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	14089 - 14095
a	26.596 ± 0.004 Å
b	16.226 ± 0.003 Å
c	25.392 ± 0.004 Å
α	90°
β	91.841 ± 0.008°
γ	90°
Cell volume	10952 ± 3 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2137
Residual factor for significantly intense reflections	0.1705
Weighted residual factors for significantly intense reflections	0.4285
Weighted residual factors for all reflections included in the refinement	0.4468
Goodness-of-fit parameter for all reflections included in the refinement	1.175
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
179472 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/69.	4336990.cif
103055	2014-02-25	cif/ Adding structures of 4336990 via cif-deposit CGI script.	4336990.cif