Crystallography Open Database

Information card for entry 7114876

Preview

Coordinates	7114876.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H42 Cu2 N9 O15
Calculated formula	C53 H42 Cu2 N9 O15
Title of publication	Two different one-dimensional structural motifs in the same coordination polymer: a novel interpenetration of infinite ladders by bundles of infinite chains
Authors of publication	Zaman, Md. Badruz; Smith, Mark D.; zur Loye, Hans-Conrad
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	21
Pages of publication	2256
a	12.1363 ± 0.0018 Å
b	13.738 ± 0.002 Å
c	17.563 ± 0.003 Å
α	107.663 ± 0.003°
β	94.805 ± 0.004°
γ	104.021 ± 0.004°
Cell volume	2667.6 ± 0.7 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1232
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.086
Weighted residual factors for all reflections included in the refinement	0.1125
Goodness-of-fit parameter for all reflections included in the refinement	0.996
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
180262 (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 7/11/48.	7114876.cif
118388	2014-06-30	cif/ Adding structures of 7114875, 7114876 via cif-deposit CGI script.	7114876.cif