Crystallography Open Database

Information card for entry 7049672

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Coordinates	7049672.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C148 H100 N16 O20 Re4
Calculated formula	C148 H100 N16 O20 Re4
Title of publication	fac-Re(CO)<sub>3</sub>-based neutral heteroleptic tetrahedrons.
Authors of publication	Arumugam, Ramar; Shankar, Bhaskaran; Soumya, K. R.; Sathiyendiran, Malaichamy
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	21
Pages of publication	7425 - 7431
a	19.1389 ± 0.0013 Å
b	24.4265 ± 0.0013 Å
c	35.133 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	16424.5 ± 1.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.1468
Residual factor for significantly intense reflections	0.0821
Weighted residual factors for significantly intense reflections	0.1764
Weighted residual factors for all reflections included in the refinement	0.2088
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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