Crystallography Open Database

Information card for entry 7018899

Preview

Coordinates	7018899.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H124 Cu4 Li2 O8 P6
Calculated formula	C104.04 H123.96 Cu4 Li2 O8 P6
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	15.4214 ± 0.0003 Å
b	15.4214 ± 0.0003 Å
c	25.0344 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	5156.03 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	159
Hermann-Mauguin space group symbol	P 3 1 c
Hall space group symbol	P 3 -2c
Residual factor for all reflections	0.0709
Residual factor for significantly intense reflections	0.0674
Weighted residual factors for significantly intense reflections	0.1755
Weighted residual factors for all reflections included in the refinement	0.1772
Goodness-of-fit parameter for all reflections included in the refinement	1.2
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179892 (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 7/01/88.	7018899.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018899.cif
55989	2012-05-08	cif/ Adding structures of 7018899, 7018900, 7018901 via cif-deposit CGI script.	7018899.cif