Crystallography Open Database

Information card for entry 7716786

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Coordinates	7716786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H114 N8 O2 Si4 Ti2
Calculated formula	C50 H114 N8 O2 Si4 Ti2
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	13.8754 ± 0.0003 Å
b	13.7638 ± 0.0002 Å
c	18.1998 ± 0.0003 Å
α	90°
β	111.737 ± 0.002°
γ	90°
Cell volume	3228.62 ± 0.11 Å³
Cell temperature	172.99 ± 0.1 K
Ambient diffraction temperature	172.99 ± 0.1 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	0.0616
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1001
Weighted residual factors for all reflections included in the refinement	0.1193
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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