Crystallography Open Database

Information card for entry 2022952

2022951 << 2022952 >> 2022953

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Coordinates	2022952.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Tetrakis{<i>N</i>-[bis(pyrrolidin-1-yl)phosphoryl]acetamidato}bis(propan-2-ol)neodymiumsodium propan-2-ol monosolvate
Formula	C49 H88 Cl12 N12 Na Nd O11 P4
Calculated formula	C49 H88 Cl12 N12 Na Nd O11 P4
Title of publication	Synthesis, crystal structure and Hirshfeld surface analysis of the tetrakis complex NaNdPyr4(i-PrOH)2·i-PrOH with a carbacylamidophosphate of the amide type
Authors of publication	Kariaka, Nataliia S.; Dyakonenko, Viktoriya V.; Znovjyak, Kateryna O.; Shishkina, Svitlana V.; Amirkhanov, Volodymyr M.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2023
Journal volume	79
Journal issue	12
Pages of publication	1218 - 1222
a	12.7712 ± 0.0004 Å
b	13.6102 ± 0.0004 Å
c	24.7288 ± 0.0008 Å
α	98.301 ± 0.003°
β	97.814 ± 0.003°
γ	117.051 ± 0.003°
Cell volume	3687.5 ± 0.2 Å³
Cell temperature	103 K
Ambient diffraction temperature	103 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0581
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1025
Weighted residual factors for all reflections included in the refinement	0.11
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
287919 (current)	2023-12-01	cif/ hkl/ Adding structures of 2022952 via cif-deposit CGI script.	2022952.cif