Crystallography Open Database

Information card for entry 4345621

Preview

Coordinates	4345621.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C83 H152 N2 Nd5 O47 P6
Calculated formula	C83 H152 N2 Nd5 O47 P6
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	14.219 ± 0.002 Å
b	17.081 ± 0.003 Å
c	25.463 ± 0.004 Å
α	99.33 ± 0.002°
β	90.523 ± 0.003°
γ	105.789 ± 0.003°
Cell volume	5863 ± 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	0.0493
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.117
Weighted residual factors for all reflections included in the refinement	0.1181
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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.	4345621.cif