Crystallography Open Database

Information card for entry 7021792

Preview

Coordinates	7021792.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H68 Cu2 F12 N8 O10 P2
Calculated formula	C80 H64 Cu2 F12 N8 O10 P2
Title of publication	A phenanthroline-terpyridine hybrid as a chameleon-type ligand in a reversible metallosupramolecular rearrangement.
Authors of publication	Saha, Manik Lal; Mahata, Kingsuk; Samanta, Debabrata; Kalsani, Venkateshwarlu; Fan, Jian; Bats, Jan W.; Schmittel, Michael
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	36
Pages of publication	12840 - 12843
a	24.1554 ± 0.0012 Å
b	14.3528 ± 0.0007 Å
c	21.3467 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	7400.9 ± 0.6 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	7
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0857
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1635
Weighted residual factors for all reflections included in the refinement	0.177
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
179922 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/17.	7021792.cif
87689	2013-08-27	cif/ Adding structures of 7021791, 7021792 via cif-deposit CGI script.	7021792.cif