Crystallography Open Database

Information card for entry 7113497

Preview

Coordinates	7113497.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H81 N2 O6 Zr
Calculated formula	C70 H79.6 N2 O6 Zr
Title of publication	Isolation and characterisation of transition and main group metal complexes supported by hydrogen-bonded zwitterionic polyphenolic ligands
Authors of publication	Davidson, Matthew G.; Doherty, Cheryl L.; Johnson, Andrew L.; Mahon, Mary F.
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	15
Pages of publication	1832 - 1833
a	11.338 ± 0.0003 Å
b	11.768 ± 0.0003 Å
c	12.886 ± 0.0004 Å
α	82.058 ± 0.001°
β	83.645 ± 0.001°
γ	73.389 ± 0.001°
Cell volume	1627.17 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0583
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.1392
Weighted residual factors for all reflections included in the refinement	0.1462
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Duplicate of	7103808
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210401 (current)	2018-09-04	cif/7/ Updating bibliography in entries 7103808-7103810, 7113497-7113499. Marking entries 7113497-7113499 as duplicates of entries 7103808-7103810.	7113497.cif
180248	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 7/11/34.	7113497.cif
115091	2014-06-02	cif/ Adding structures of 7113497, 7113498, 7113499 via cif-deposit CGI script.	7113497.cif