Crystallography Open Database

Information card for entry 7113498

Preview

Coordinates	7113498.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H87 N O4 Zr
Calculated formula	C54 H86 N O4 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	14.581 ± 0.0001 Å
b	14.581 ± 0.0001 Å
c	25.419 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	5404.22 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	78
Hermann-Mauguin space group symbol	P 43
Hall space group symbol	P 4cw
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0902
Weighted residual factors for all reflections included in the refinement	0.0958
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7103809
Has coordinates	Yes
Has disorder	Yes
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.	7113498.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.	7113498.cif
115091	2014-06-02	cif/ Adding structures of 7113497, 7113498, 7113499 via cif-deposit CGI script.	7113498.cif