Crystallography Open Database

Information card for entry 4103874

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Coordinates	4103874.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C252 H256 B6 Ir2 N20 O41
Calculated formula	C251.94 H255.88 B6 Ir2 N20 O41
Title of publication	Back to Back Twin Bowls of D3-Symmetric Tris(spiroborate)s for Supramolecular Chain Structures
Authors of publication	Hiroshi Danjo; Kadzuya Hirata; Seiki Yoshigai; Isao Azumaya; Kentaro Yamaguchi
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	1638 - 1639
a	21.698 ± 0.014 Å
b	22.607 ± 0.014 Å
c	27.01 ± 0.008 Å
α	67.78 ± 0.08°
β	73.26 ± 0.09°
γ	68.21 ± 0.08°
Cell volume	11220 ± 13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1673
Residual factor for significantly intense reflections	0.1421
Weighted residual factors for significantly intense reflections	0.3512
Weighted residual factors for all reflections included in the refinement	0.3921
Goodness-of-fit parameter for all reflections included in the refinement	1.258
Diffraction radiation wavelength	0.7 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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