Crystallography Open Database

Information card for entry 4345622

Preview

Coordinates	4345622.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H154 N2 O47 P6 Sm5
Calculated formula	C84 H154 N2 O47 P6 Sm5
Title of publication	Pentanuclear Lanthanide Mono-organophosphates: Synthesis, Structure, and Magnetism.
Authors of publication	Gupta, Sandeep K.; Langley, Stuart K.; Sharma, Kamna; Murray, Keith S.; Murugavel, Ramaswamy
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	7
Pages of publication	3946 - 3960
a	14.157 ± 0.002 Å
b	17.015 ± 0.003 Å
c	25.38 ± 0.004 Å
α	99.338 ± 0.003°
β	90.654 ± 0.001°
γ	105.732 ± 0.004°
Cell volume	5796.7 ± 1.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.044
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.0956
Weighted residual factors for all reflections included in the refinement	0.0968
Goodness-of-fit parameter for all reflections included in the refinement	1.124
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
194730 (current)	2017-04-04	cif/ Adding structures of 4345621, 4345622, 4345623, 4345624, 4345625, 4345626, 4345627, 4345628 via cif-deposit CGI script.	4345622.cif