Crystallography Open Database

Information card for entry 7702460

Preview

Coordinates	7702460.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55.25 H53 Br2 Co3 N12
Calculated formula	C55.25 H32 Br2 Co3 N12
Title of publication	Structural and magnetic properties of Co3(dpa)4Br2 †
Authors of publication	Clérac, Rodolphe; Cotton, F. Albert; Daniels, Lee M.; Dunbar, Kim R.; Murillo, Carlos A.; Wang, Xiaoping
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2001
Journal issue	4
Pages of publication	386
a	16.927 ± 0.001 Å
b	18.155 ± 0.001 Å
c	19.293 ± 0.001 Å
α	81.395 ± 0.001°
β	82.475 ± 0.002°
γ	62.438 ± 0.001°
Cell volume	5184 ± 0.5 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0993
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for all reflections	0.1352
Weighted residual factors for significantly intense reflections	0.116
Goodness-of-fit parameter for all reflections	1.012
Goodness-of-fit parameter for significantly intense reflections	1.142
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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