Crystallography Open Database

Information card for entry 7041893

Preview

Coordinates	7041893.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H74 N18 Zn5
Calculated formula	C62 H74 N18 Zn5
Title of publication	One-pot synthesis of ultrastable pentanuclear alkylzinc complexes.
Authors of publication	Bunzen, Hana; Grzywa, Maciej; Kalytta-Mewes, Andreas; Volkmer, Dirk
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	8
Pages of publication	2618 - 2625
a	15.254 ± 0.0004 Å
b	18.48 ± 0.0005 Å
c	23.6173 ± 0.0006 Å
α	90°
β	104.182 ± 0.001°
γ	90°
Cell volume	6454.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0463
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0593
Weighted residual factors for all reflections included in the refinement	0.0661
Goodness-of-fit parameter for all reflections included in the refinement	0.936
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
193775 (current)	2017-03-05	cif/ Updating files of 7041893 Original log message: Adding full bibliography for 7041893.cif.	7041893.cif
191158	2017-01-31	cif/ Adding structures of 7041893 via cif-deposit CGI script.	7041893.cif