Crystallography Open Database

Information card for entry 4329169

Preview

Coordinates	4329169.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H110 Cu10 N8 O34 P10
Calculated formula	C56 H110 Cu10 N8 O34 P10
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	15.331 ± 0.004 Å
b	15.885 ± 0.005 Å
c	18.275 ± 0.005 Å
α	65.916 ± 0.005°
β	69.997 ± 0.005°
γ	67.706 ± 0.005°
Cell volume	3665.9 ± 1.8 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.132
Residual factor for significantly intense reflections	0.0678
Weighted residual factors for significantly intense reflections	0.1857
Weighted residual factors for all reflections included in the refinement	0.2088
Goodness-of-fit parameter for all reflections included in the refinement	0.824
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.	4329169.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.	4329169.cif
78209	2013-04-01	cif/ Adding structures of 4329169 via cif-deposit CGI script.	4329169.cif