Crystallography Open Database

Information card for entry 7704126

Preview

Coordinates	7704126.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H112 Cr K2 N8 O4 P4
Calculated formula	C63 H112 Cr K2 N8 O4 P4
Title of publication	1,2-Diaza-4-phospholide complexes of chromium(ii): dipotassium organochromates behaving as single-molecule magnets.
Authors of publication	Su, Jing; Yin, Lei; Ouyang, Zhongwen; Wang, Zhenxing; Zheng, Wenjun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	21
Pages of publication	6945 - 6949
a	16.4723 ± 0.0009 Å
b	24.244 ± 0.0009 Å
c	19.1309 ± 0.0006 Å
α	90°
β	93.463 ± 0.004°
γ	90°
Cell volume	7626.1 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0918
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1407
Weighted residual factors for all reflections included in the refinement	0.1636
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation probe	x-ray
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
252840 (current)	2020-06-05	cif/ Updating files of 7704126, 7704127 Original log message: Adding full bibliography for 7704126--7704127.cif.	7704126.cif
250912	2020-04-18	cif/ Adding structures of 7704126, 7704127 via cif-deposit CGI script.	7704126.cif