Crystallography Open Database

Information card for entry 4338787

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Coordinates	4338787.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H84 Ir2 N2 Si2 Zr2
Calculated formula	C48 H66 Ir2 N2 Si2 Zr2
Title of publication	A study on zr-ir multiple bonding active for C-h bond cleavage.
Authors of publication	Oishi, Masataka; Oshima, Masato; Suzuki, Hiroharu
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	13
Pages of publication	6634 - 6654
a	12.0837 ± 0.0005 Å
b	15.2035 ± 0.0006 Å
c	13.6888 ± 0.0006 Å
α	90°
β	93.922 ± 0.0014°
γ	90°
Cell volume	2508.94 ± 0.18 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0303
Residual factor for significantly intense reflections	0.0258
Weighted residual factors for significantly intense reflections	0.0545
Weighted residual factors for all reflections included in the refinement	0.0562
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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