Crystallography Open Database

Information card for entry 7113683

Preview

Coordinates	7113683.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H94 Cu2 F12 N10 O6 P2
Calculated formula	C76 H94 Cu2 F12 N10 O6 P2
Title of publication	Aggregation of metallo-supramolecular architectures by metallo-assembled hydrogen bonding sites
Authors of publication	Lavalette, Arnaud; Tuna, Floriana; Clarkson, Guy; Alcock, Nathaniel W.; Hannon, Michael J.
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	21
Pages of publication	2666 - 2667
a	12.3955 ± 0.0014 Å
b	15.0429 ± 0.0018 Å
c	41.729 ± 0.005 Å
α	90°
β	97.315 ± 0.003°
γ	90°
Cell volume	7717.6 ± 1.6 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1792
Residual factor for significantly intense reflections	0.0734
Weighted residual factors for significantly intense reflections	0.1072
Weighted residual factors for all reflections included in the refinement	0.1383
Goodness-of-fit parameter for all reflections included in the refinement	0.996
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7104875
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
210430 (current)	2018-09-04	cif/7/ Updating bibliography in entries 7104874-7104876, 7113682-7113684. Marking entries 7113682-7113684 as duplicates of entries 7104874-7104876.	7113683.cif
180250	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 7/11/36.	7113683.cif
115203	2014-06-02	cif/ Adding structures of 7113682, 7113683, 7113684 via cif-deposit CGI script.	7113683.cif