Crystallography Open Database

Information card for entry 7720444

7720443 << 7720444 >> 7720445

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Coordinates	7720444.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H100 Ca2 N4
Calculated formula	C66 H100 Ca2 N4
Title of publication	Synthesis of heteroleptic calcium amide complexes <i>via</i> manipulation of the Schlenk equilibrium.
Authors of publication	de Vere-Tucker, Matthew; Slawin, Alexandra M. Z.; Cordes, David B.; Stasch, Andreas
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2026
Journal volume	55
Journal issue	4
Pages of publication	1708 - 1715
a	17.2323 ± 0.0018 Å
b	17.2323 ± 0.0018 Å
c	43.437 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	12899 ± 2 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	4
Space group number	110
Hermann-Mauguin space group symbol	I 41 c d
Hall space group symbol	I 4bw -2c
Residual factor for all reflections	0.0286
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for significantly intense reflections	0.0659
Weighted residual factors for all reflections included in the refinement	0.0671
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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