Crystallography Open Database

Information card for entry 7120976

7120975 << 7120976 >> 7120977

Preview

Coordinates	7120976.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C182 H84 Cr4 I2 Li2.04 N32 O10
Calculated formula	C182 H84 Cr4 I2 Li2.04 N32 O10
Title of publication	Phthalocyanine as a redox-active platform for organometallic chemistry.
Authors of publication	Zhou, Wen; Leznoff, Daniel B.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	15
Pages of publication	1829 - 1832
a	24.4994 ± 0.0014 Å
b	24.2314 ± 0.0016 Å
c	35.7646 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	21232 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	73
Hermann-Mauguin space group symbol	I b c a
Hall space group symbol	-I 2b 2c
Residual factor for all reflections	0.4574
Residual factor for significantly intense reflections	0.2937
Weighted residual factors for significantly intense reflections	0.545
Weighted residual factors for all reflections included in the refinement	0.6296
Goodness-of-fit parameter for all reflections included in the refinement	1.6
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
228435 (current)	2019-11-17	cif/ Updating files of 7120971, 7120972, 7120973, 7120974, 7120975, 7120976, 7120977, 7120978 Original log message: Adding full bibliography for 7120971--7120978.cif.	7120976.cif
204171	2017-12-12	cif/ Adding structures of 7120971, 7120972, 7120973, 7120974, 7120975, 7120976, 7120977, 7120978 via cif-deposit CGI script.	7120976.cif