Crystallography Open Database

Information card for entry 7712859

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Coordinates	7712859.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H49 Ca N5 S
Calculated formula	C38 H49 Ca N5 S
Title of publication	A 2,2’-Bipyridyl Calcium Complex: Synthesis, Structure and Reactivity Studies
Authors of publication	Wu, Lingfeng; Wang, Zhenghui; Liu, Yumiao; Chen, Liang; Ren, Wenshan
Journal of publication	Dalton Transactions
Year of publication	2023
a	10.595 ± 0.0001 Å
b	17.4079 ± 0.0002 Å
c	10.6623 ± 0.0001 Å
α	90°
β	109.774 ± 0.001°
γ	90°
Cell volume	1850.56 ± 0.03 Å³
Cell temperature	180 ± 0.1 K
Ambient diffraction temperature	180 ± 0.1 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0521
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1328
Weighted residual factors for all reflections included in the refinement	0.134
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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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