Crystallography Open Database

Information card for entry 7018901

Preview

Coordinates	7018901.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H120 Cu2 Li2 O4 P4
Calculated formula	C64 H120 Cu2 Li2 O4 P4
Title of publication	Expanding the tools available for direct ortho cupration ‒ targeting lithium phosphidocuprates
Authors of publication	Harford, Philip J.; Haywood, Joanna; Smith, Matthew R.; Bhawal, Benjamin N.; Raithby, Paul R.; Uchiyama, Masanobu; Wheatley, Andrew E. H.
Journal of publication	Dalton Transactions
Year of publication	2012
Journal volume	41
Journal issue	20
Pages of publication	6148
a	11.0379 ± 0.0001 Å
b	16.0222 ± 0.0002 Å
c	20.8778 ± 0.0003 Å
α	77.187 ± 0.001°
β	82.664 ± 0.001°
γ	75.705 ± 0.001°
Cell volume	3478.44 ± 0.08 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 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	0.1083
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.0957
Weighted residual factors for all reflections included in the refinement	0.1126
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179893 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/89.	7018901.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018901.cif
55989	2012-05-08	cif/ Adding structures of 7018899, 7018900, 7018901 via cif-deposit CGI script.	7018901.cif