Crystallography Open Database

Information card for entry 4080361

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Coordinates	4080361.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H87 N2 O4 P2 Y
Calculated formula	C66 H87 N2 O4 P2 Y
Title of publication	Yttrium Phosphasalen Initiators forrac-Lactide Polymerization
Authors of publication	Bakewell, Clare; Cao, Thi-Phuong-Anh; Le Goff, Xavier F.; Long, Nicholas J.; Auffrant, Audrey; Williams, Charlotte K.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	5
Pages of publication	1475
a	10.652 ± 0.001 Å
b	26.078 ± 0.001 Å
c	11.444 ± 0.001 Å
α	90°
β	107.043 ± 0.001°
γ	90°
Cell volume	3039.3 ± 0.4 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0791
Residual factor for significantly intense reflections	0.0603
Weighted residual factors for significantly intense reflections	0.119
Weighted residual factors for all reflections included in the refinement	0.1327
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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