Crystallography Open Database

Information card for entry 7711284

Preview

Coordinates	7711284.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H72 Na2 O4 Pb Si2
Calculated formula	C44 H72 Na2 O4 Pb Si2
SMILES	[Pb]1[C]23([Si](C)(C(C)(C)C)C)[Na]45([O]6CCCC6)([C]6=2([C]24([Na]36([O]3CCCC3)([O]3CCCC3)[C]15=2[Si](C)(C)C(C)(C)C)c1ccccc1)c1ccccc1)[O]1CCCC1
Title of publication	Expanding the Series of Alkali Metal Plumbolyl Complexes to Na and K
Authors of publication	Diaz-Rodriguez, Roberto; Kitos, Alexandros; Murugesu, Muralee
Journal of publication	Dalton Transactions
Year of publication	2022
a	23.3878 ± 0.0017 Å
b	10.5283 ± 0.0008 Å
c	20.5795 ± 0.0016 Å
α	90°
β	107.77 ± 0.002°
γ	90°
Cell volume	4825.6 ± 0.6 Å³
Cell temperature	203.15 K
Ambient diffraction temperature	203.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0328
Residual factor for significantly intense reflections	0.022
Weighted residual factors for significantly intense reflections	0.0465
Weighted residual factors for all reflections included in the refinement	0.0496
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
277971 (current)	2022-09-19	cif/ Adding structures of 7711281, 7711282, 7711283, 7711284 via cif-deposit CGI script.	7711284.cif