Crystallography Open Database

Information card for entry 4329171

Preview

Coordinates	4329171.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H88 Cu10 F7.97 N12 O26 P8
Calculated formula	C56 H88 Cu10 F7.96 N12 O26 P8
Title of publication	Multicomponent Assembly of Anionic and Neutral Decanuclear Copper(II) Phosphonate Cages
Authors of publication	Vadapalli Chandrasekhar; Loganathan Nagarajan; Sakiat Hossain; Kandasamy Gopal; Surajit Ghosh; Sandeep Verma
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	5605 - 5616
a	21.5813 ± 0.0018 Å
b	24.4312 ± 0.0018 Å
c	10.8552 ± 0.0009 Å
α	90°
β	115.62 ± 0.002°
γ	90°
Cell volume	5160.8 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0915
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.1662
Weighted residual factors for all reflections included in the refinement	0.2106
Goodness-of-fit parameter for all reflections included in the refinement	1.185
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
276385 (current)	2022-06-29	cif/4/32/91/ Removed the '_chemical_name_systematic' data item that had an incorrect value from entries 4329166-4329171.	4329171.cif
179394	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/91.	4329171.cif
78211	2013-04-01	cif/ Adding structures of 4329171 via cif-deposit CGI script.	4329171.cif