Crystallography Open Database

Information card for entry 7716789

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Coordinates	7716789.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H112 Li4 N6 O4 Si4
Calculated formula	C50 H112 Li4 N6 O4 Si4
Title of publication	A Twist on a Classic Scaffold: Rational Design of a New Bimetallic Platform
Authors of publication	Rumi, Sultana Parvin; Zakharov, Lev N.; Desnoyer, Addison
Journal of publication	Dalton Transactions
Year of publication	2024
a	10.3186 ± 0.0003 Å
b	11.5334 ± 0.0004 Å
c	13.9949 ± 0.0003 Å
α	97.96 ± 0.002°
β	98.394 ± 0.002°
γ	100.035 ± 0.003°
Cell volume	1599.33 ± 0.08 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1183
Residual factor for significantly intense reflections	0.0826
Weighted residual factors for significantly intense reflections	0.2308
Weighted residual factors for all reflections included in the refinement	0.2722
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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